methyl 2,3,6-trimethoxypyridine-4-carboxylate

C10H13NO5 — CID 130406819

IUPACmethyl 2,3,6-trimethoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(OC)c1OC
InChIInChI=1S/C10H13NO5/c1-13-7-5-6(10(12)16-4)8(14-2)9(11-7)15-3/h5H,1-4H3
InChIKeyDYLMNIAWXDAURP-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.89
Rot. Bonds4

About methyl 2,3,6-trimethoxypyridine-4-carboxylate

methyl 2,3,6-trimethoxypyridine-4-carboxylate (PubChem CID 130406819) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2,3,6-trimethoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,6-trimethoxypyridine-4-carboxylate
PubChem CID130406819
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namemethyl 2,3,6-trimethoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(OC)c1OC
InChIInChI=1S/C10H13NO5/c1-13-7-5-6(10(12)16-4)8(14-2)9(11-7)15-3/h5H,1-4H3
InChIKeyDYLMNIAWXDAURP-UHFFFAOYSA-N
XLogP0.89
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 21251115
methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134679196
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 822286
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate
CID 157290509

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,6-trimethoxypyridine-4-carboxylate?
The IUPAC name of methyl 2,3,6-trimethoxypyridine-4-carboxylate (CID 130406819) is methyl 2,3,6-trimethoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 2,3,6-trimethoxypyridine-4-carboxylate?
The canonical SMILES for methyl 2,3,6-trimethoxypyridine-4-carboxylate is COC(=O)c1cc(OC)nc(OC)c1OC.
What is the InChIKey of methyl 2,3,6-trimethoxypyridine-4-carboxylate?
The InChIKey is DYLMNIAWXDAURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-13-7-5-6(10(12)16-4)8(14-2)9(11-7)15-3/h5H,1-4H3.
What are the key properties of methyl 2,3,6-trimethoxypyridine-4-carboxylate?
methyl 2,3,6-trimethoxypyridine-4-carboxylate has a molecular weight of 227.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,6-trimethoxypyridine-4-carboxylate is sourced from PubChem (CID 130406819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).